Journal
PHYSICAL REVIEW B
Volume 80, Issue 14, Pages -Publisher
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.80.140408
Keywords
-
Funding
- MiUR
- EU
- Fondazione Banco di Sardegna
Ask authors/readers for more resources
Self-interaction-corrected local-density-functional calculations show that rocksalt-structure CuO spontaneously becomes insulating and magnetically ordered by tetragonal Jahn-Teller distortion of Cu-centered octahedra. The equilibrium structure is axially expanded by 9%, has a charge-transfer gap of 1.1 eV, and antiferromagnetic ordering-II with a d(x2-y2) spin-polarized hole and a Neel temperature of 530 K within the anisotropic Ising model.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available